3-fluoropropane-1-sulfonyl chloride

• ChemBase ID: 278770
• Molecular Formular: C3H6ClFO2S
• Molecular Mass: 160.5949432
• Monoisotopic Mass: 159.97610633
• SMILES: S(=O)(=O)(Cl)CCCF
• Canonical SMILES: FCCCS(=O)(=O)Cl
• InChI: InChI=1S/C3H6ClFO2S/c4-8(6,7)3-1-2-5/h1-3H2
• InChIKey: NSEKXHORSXVZKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropropane-1-sulfonyl chloride
• IUPAC Traditional name: 3-fluoropropane-1-sulfonyl chloride
• Synonyms: 3-fluoropropane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD01697637
• PubChem SID: 164334680
• PubChem CID: 21114841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.21816146
• LogD (pH = 7.4): 0.21816146
• Log P: 0.21816146
• Molar Refractivity: 29.6926 cm^3
• Polarizability: 12.349069 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.852

Product Information

• Purity: 95%